SB-3CT

CAT: 0127-BUP07212-04Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP07212-04Size:50 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

292605-14-2

Purity

=98%

Smiles

O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1

Chemical Information

SB-3CT

2-[(4-phenoxyphenyl)sulfonylmethyl]thiirane is an aromatic ether.

CAS Number	292605-14-2
PubChem CID	9883002
IUPAC Name	2-[(4-phenoxyphenyl)sulfonylmethyl]thiirane
Molecular Formula	C15H14O3S2
Molecular Weight	306.4
XLogP	3.2
Topological Polar Surface Area	77.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	401

SMILES

C1C(S1)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2

InChIKey

LSONWRHLFZYHIN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 292605-14-2

CID: 9883002

Formula: C15H14O3S2

MW: 306.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.4
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	306.03843665
Monoisotopic Mass	306.03843665
Topological Polar Surface Area	77.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	401
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BML-EI325-0001	SB-3CT
465911-01	SB 3CT